2-(1-adamantyl)-N-[6-chloranyl-2-[(3R)-4-(methylamino)-3-oxidanyl-butyl]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[6-chloranyl-2-[(3R)-4-(methylamino)-3-oxidanyl-butyl]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[6-chloro-2-[(3R)-3-hydroxy-4-(methylamino)butyl]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[6-chloro-2-[(3R)-3-hydroxy-4-(methylamino)butyl]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[6-chloro-2-[(3R)-3-hydroxy-4-(methylamino)butyl]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[6-chloro-2-[(3R)-3-hydroxy-4-(methylamino)butyl]-5-quinolyl]acetamide Formula: C26H34ClN3O2 MolecularWeight: 456.02006

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CCC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CNC[C@@H](CCC1=NC2=C(C=C1)C(=C(C=C2)Cl)NC(=O)CC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C26H34ClN3O2/c1-28-15-20(31)4-2-19-3-5-21-23(29-19)7-6-22(27)25(21)30-24(32)14-26-11-16-8-17(12-26)10-18(9-16)13-26/h3,5-7,16-18,20,28,31H,2,4,8-15H2,1H3,(H,30,32)/t16?,17?,18?,20-,26?/m1/s1